Milfasartan
HIT212693075
sdf文件结构编辑类似物检索
HIT ID: HIT212693075
Cas No: 148564-47-0
分子式: C30H30N6O3S
分子量: 554.67
常用名: Milfasartan
氢键受体数 (HBA): 6
氢键供体数 (HBD): 1
LogP: 5.8708644
IUPAC: methyl 2-[(4-butyl-2-methyl-6-oxo-5-{[2'-(1H-1,2,3,4-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl]methyl}-1,6-dihydropyrimidin-1-yl)methyl]thiophene-3-carboxylate
IUPAC: methyl 2-[(4-butyl-2-methyl-6-oxo-5-{[2'-(1H-1,2,3,4-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl]methyl}-1,6-dihydropyrimidin-1-yl)methyl]thiophene-3-carboxylate
SMILES: CCCCc1nc(C)n(Cc2sccc2C(=O)OC)c(=O)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
SMILES: CCCCc1nc(C)n(Cc2sccc2C(=O)OC)c(=O)c1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1
InChI key: QVFVAKQHELFATN-UHFFFAOYSA-N
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